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Search term: FC1=CC=C(C(=O)OCC)C=C1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | Ethyl 4-Fluorobenzoate | C9H9FO2

Ethyl 4-Fluorobenzoate

  • Molecular FormulaC9H9FO2
  • Average mass168.165 Da
  • Monoisotopic mass168.058655 Da
  • ChemSpider ID21168776

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Fluorobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-, ethyl ester [ACD/Index Name]
Ethyl 4-Fluorobenzoate [ACD/IUPAC Name]
Ethyl-4-fluorbenzoat [German] [ACD/IUPAC Name]
Ethyl-4-fluorbenzolcarboxylat
[451-46-7]
207-194-8 [EINECS]
39255-20-4 [RN]
451-46-7 [RN]
'451-46-7
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

102644_ALDRICH [DBID]
46610_FLUKA [DBID]
CCRIS 4693 [DBID]
MFCD00000351 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 210.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 81.1±0.0 °C
Index of Refraction: 1.488
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.04
ACD/KOC (pH 5.5): 514.23
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.04
ACD/KOC (pH 7.4): 514.23
Polar Surface Area: 26 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

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